1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol

C17H18F2O — CID 82920068

IUPAC1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C17H18F2O/c1-11-4-6-14(8-12(11)2)17(3,20)10-13-5-7-15(18)16(19)9-13/h4-9,20H,10H2,1-3H3
InChIKeyMWXUWDKALXOIBO-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.03
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol

1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 82920068) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
PubChem CID82920068
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C17H18F2O/c1-11-4-6-14(8-12(11)2)17(3,20)10-13-5-7-15(18)16(19)9-13/h4-9,20H,10H2,1-3H3
InChIKeyMWXUWDKALXOIBO-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671
3-(3,4-difluorophenyl)-2-hydroxy-2-methylpropanal
CID 82919795
3-[1-(3,4-difluorophenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 82920764
4-[1-(3,4-dimethylphenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481701
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
1-(2,5-dichlorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65316570
2-(3,4-difluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832741
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146449
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol (CID 82920068) is 1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(C(C)(O)Cc2ccc(F)c(F)c2)cc1C.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is MWXUWDKALXOIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-11-4-6-14(8-12(11)2)17(3,20)10-13-5-7-15(18)16(19)9-13/h4-9,20H,10H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol?
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol has a molecular weight of 276.33 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 82920068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).